SCHEMBL7333045

SCHEMBL7333045

CN1CC=C(c2c[nH]c3ccc(-c4nc(=O)cc[nH]4)cc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7363081 0.78 SLC6A4 (0.71) SLC6A4
Hydrochloric Acid SCHEMBL7364527 0.78 SLC6A4 (0.71) SLC6A4
SCHEMBL4673448 0.77 SLC6A4 (1.00) SLC6A4
SCHEMBL13323539 0.76 SLC6A4 (1.00) SLC6A4
Bromide SCHEMBL7867371 0.76 SLC6A4 (0.97) SLC6A4
Hydrochloric Acid SCHEMBL9237633 0.75 SLC6A4 (0.63) SLC6A4
SCHEMBL7328027 0.75 SLC6A4 (0.63) SLC6A4
SCHEMBL1275594 0.74 SLC6A4 (1.00) SLC6A4
SCHEMBL5367487 0.74 SLC6A4 (0.76) SLC6A4
SCHEMBL7479356 0.74 SLC6A4 (0.76) SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP claimed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO claimed
EP-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed